MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003309
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003309
RECORD_TITLE: DI(2-ETHYL HEXYL)PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: DI(2-ETHYL HEXYL)PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H38O4
CH$EXACT_MASS: 390.27701
CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
CH$LINK: INCHIKEY
BJQHLKABXJIVAM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020607
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-5900000000-8fe49d0875c15c9a186b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
43 20.4 204
50 1.3 13
54 14.1 141
55 7.2 72
56 30.5 305
57 1.8 18
65 1.6 16
70 1.7 17
71 20 200
72 1.3 13
76 2.6 26
77 0.1 1
82 2 20
83 7.7 77
84 4 40
93 0.13 1
104 4.2 42
105 2.1 21
112 8.7 87
113 1.24 12
114 1.3 13
121 1.3 13
122 1.3 13
132 0.16 2
148 1.1 11
149 99.99 999
150 10.2 102
151 0.11 1
167 40.9 409
168 3.2 32
223 1 10
279 2.36 24
280 3.7 37
//
system version 2.2.6-SNAPSHOT